tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane

C23H45BO7Si — CID 166449255

IUPACtert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
SMILESCOC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H45BO7Si/c1-20(2,3)32(12,13)29-18(19(25-10)26-11)17-16(27-23(8,9)28-17)14-15-24-30-21(4,5)22(6,7)31-24/h14-19H,1-13H3/b15-14-/t16-,17+,18+/m1/s1
InChIKeyPLNSYOZGSAFRHT-IAGXNYRLSA-N
MW472.50 g/mol
LogP4.70
Rot. Bonds8

About tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane (PubChem CID 166449255) has the molecular formula C23H45BO7Si and a molecular weight of 472.50 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
PubChem CID166449255
Molecular FormulaC23H45BO7Si
Molecular Weight472.50 g/mol
Exact Mass472.30
IUPAC Nametert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
SMILESCOC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H45BO7Si/c1-20(2,3)32(12,13)29-18(19(25-10)26-11)17-16(27-23(8,9)28-17)14-15-24-30-21(4,5)22(6,7)31-24/h14-19H,1-13H3/b15-14-/t16-,17+,18+/m1/s1
InChIKeyPLNSYOZGSAFRHT-IAGXNYRLSA-N
XLogP4.70
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane (CID 166449255) is tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane is COC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1/C=C\B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
The InChIKey is PLNSYOZGSAFRHT-IAGXNYRLSA-N. The full InChI is InChI=1S/C23H45BO7Si/c1-20(2,3)32(12,13)29-18(19(25-10)26-11)17-16(27-23(8,9)28-17)14-15-24-30-21(4,5)22(6,7)31-24/h14-19H,1-13H3/b15-14-/t16-,17+,18+/m1/s1.
What are the key properties of tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane has a molecular weight of 472.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane is sourced from PubChem (CID 166449255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).